Information card for entry 4075657

Structure parameters

• Common name: [PdCl(C3H5)(3,5-di-t-butylphenyl-MOP)]
• Formula: C51 H54 Cl P Pd
• Calculated formula: C51 H54 Cl P Pd
• Title of publication: Bonding in Palladium(II) and Platinum(II) Allyl MeO- and H-MOP Complexes. Subtle Differences via13C NMR
• Authors of publication: Kumar, P. G. Anil; Dotta, Pascal; Hermatschweiler, René; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1306
• a: 10.2757 ± 0.0007 Å
• b: 20.0438 ± 0.0014 Å
• c: 22.3224 ± 0.0015 Å
• α: 90 ± 0.002°
• β: 90 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 4597.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No